N-cyclohexyl-2-methyl-4-nitrobut-3-enamide

C11H18N2O3 — CID 70560408

IUPACN-cyclohexyl-2-methyl-4-nitrobut-3-enamide
SMILESCC(C=C[N+](=O)[O-])C(=O)NC1CCCCC1
InChIInChI=1S/C11H18N2O3/c1-9(7-8-13(15)16)11(14)12-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,12,14)
InChIKeyDHYJYXFGSRJIHW-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.86
Rot. Bonds4

About N-cyclohexyl-2-methyl-4-nitrobut-3-enamide

N-cyclohexyl-2-methyl-4-nitrobut-3-enamide (PubChem CID 70560408) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-4-nitrobut-3-enamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-4-nitrobut-3-enamide
PubChem CID70560408
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-cyclohexyl-2-methyl-4-nitrobut-3-enamide
SMILESCC(C=C[N+](=O)[O-])C(=O)NC1CCCCC1
InChIInChI=1S/C11H18N2O3/c1-9(7-8-13(15)16)11(14)12-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,12,14)
InChIKeyDHYJYXFGSRJIHW-UHFFFAOYSA-N
XLogP1.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclohexyl-2-hydroxypent-3-enamide
CID 130015263
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N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
N-cyclohexylhexa-2,4-dienamide
CID 71382981
(2S)-2-bromo-N-cycloheptyl-3-methylbutanamide
CID 93300412
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-4-nitrobut-3-enamide?
The IUPAC name of N-cyclohexyl-2-methyl-4-nitrobut-3-enamide (CID 70560408) is N-cyclohexyl-2-methyl-4-nitrobut-3-enamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-4-nitrobut-3-enamide?
The canonical SMILES for N-cyclohexyl-2-methyl-4-nitrobut-3-enamide is CC(C=C[N+](=O)[O-])C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-4-nitrobut-3-enamide?
The InChIKey is DHYJYXFGSRJIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(7-8-13(15)16)11(14)12-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,12,14).
What are the key properties of N-cyclohexyl-2-methyl-4-nitrobut-3-enamide?
N-cyclohexyl-2-methyl-4-nitrobut-3-enamide has a molecular weight of 226.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-4-nitrobut-3-enamide is sourced from PubChem (CID 70560408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).